ethyl 2-amino-3-(4-bromophenyl)propanoate

C11H14BrNO2 — CID 4016808

IUPACethyl 2-amino-3-(4-bromophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyYIRKWTZNRFSZGH-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-amino-3-(4-bromophenyl)propanoate

ethyl 2-amino-3-(4-bromophenyl)propanoate (PubChem CID 4016808) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-bromophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-bromophenyl)propanoate
PubChem CID4016808
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 2-amino-3-(4-bromophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyYIRKWTZNRFSZGH-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-bromophenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-bromophenyl)propanoate (CID 4016808) is ethyl 2-amino-3-(4-bromophenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-bromophenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-bromophenyl)propanoate is CCOC(=O)C(N)Cc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-amino-3-(4-bromophenyl)propanoate?
The InChIKey is YIRKWTZNRFSZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3.
What are the key properties of ethyl 2-amino-3-(4-bromophenyl)propanoate?
ethyl 2-amino-3-(4-bromophenyl)propanoate has a molecular weight of 272.14 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-bromophenyl)propanoate is sourced from PubChem (CID 4016808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).